N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)CN2C=C(C=N2)Br)N3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)CN2C=C(C=N2)Br)N3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN6O4/c1-11(23-10-15(24(26)27)17(21-23)28-2)16(25)20-14-5-3-4-12(6-14)8-22-9-13(18)7-19-22/h3-7,9-11H,8H2,1-2H3,(H,20,25)